CID 22913695

1-(2-bromoethyl)-4-ethoxybenzene

Structural Information

Molecular Formula
C10H13BrO
SMILES
CCOC1=CC=C(C=C1)CCBr
InChI
InChI=1S/C10H13BrO/c1-2-12-10-5-3-9(4-6-10)7-8-11/h3-6H,2,7-8H2,1H3
InChIKey
RYVDUZLLFJTDKF-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-4-ethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

228.01498 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.02226 142.3
[M+Na]+ 251.00420 153.4
[M-H]- 227.00770 148.5
[M+NH4]+ 246.04880 164.3
[M+K]+ 266.97814 142.8
[M+H-H2O]+ 211.01224 142.5
[M+HCOO]- 273.01318 164.2
[M+CH3COO]- 287.02883 187.8
[M+Na-2H]- 248.98965 150.2
[M]+ 228.01443 162.8
[M]- 228.01553 162.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe